ethane-1,2-diol;ethanol;propan-2-ol

C7H20O4 — CID 172702663

IUPACethane-1,2-diol;ethanol;propan-2-ol
SMILESCC(C)O.CCO.OCCO
InChIInChI=1S/C3H8O.C2H6O2.C2H6O/c1-3(2)4;3-1-2-4;1-2-3/h3-4H,1-2H3;3-4H,1-2H2;3H,2H2,1H3
InChIKeyDEBPRCLSNJWCQL-UHFFFAOYSA-N
MW168.23 g/mol
LogP-0.64
Rot. Bonds1

About ethane-1,2-diol;ethanol;propan-2-ol

ethane-1,2-diol;ethanol;propan-2-ol (PubChem CID 172702663) has the molecular formula C7H20O4 and a molecular weight of 168.23 g/mol. Its IUPAC name is ethane-1,2-diol;ethanol;propan-2-ol.

Molecular Properties

Compound Nameethane-1,2-diol;ethanol;propan-2-ol
PubChem CID172702663
Molecular FormulaC7H20O4
Molecular Weight168.23 g/mol
Exact Mass168.14
IUPAC Nameethane-1,2-diol;ethanol;propan-2-ol
SMILESCC(C)O.CCO.OCCO
InChIInChI=1S/C3H8O.C2H6O2.C2H6O/c1-3(2)4;3-1-2-4;1-2-3/h3-4H,1-2H3;3-4H,1-2H2;3H,2H2,1H3
InChIKeyDEBPRCLSNJWCQL-UHFFFAOYSA-N
XLogP-0.64
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethanol;propan-2-ol?
The IUPAC name of ethane-1,2-diol;ethanol;propan-2-ol (CID 172702663) is ethane-1,2-diol;ethanol;propan-2-ol.
What is the SMILES notation for ethane-1,2-diol;ethanol;propan-2-ol?
The canonical SMILES for ethane-1,2-diol;ethanol;propan-2-ol is CC(C)O.CCO.OCCO.
What is the InChIKey of ethane-1,2-diol;ethanol;propan-2-ol?
The InChIKey is DEBPRCLSNJWCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C2H6O2.C2H6O/c1-3(2)4;3-1-2-4;1-2-3/h3-4H,1-2H3;3-4H,1-2H2;3H,2H2,1H3.
What are the key properties of ethane-1,2-diol;ethanol;propan-2-ol?
ethane-1,2-diol;ethanol;propan-2-ol has a molecular weight of 168.23 g/mol, XLogP of -0.64, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethanol;propan-2-ol is sourced from PubChem (CID 172702663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).